methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate

C14H21NO4 — CID 60904477

IUPACmethyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate
SMILESCOC(=O)CNCC(O)COc1cc(C)cc(C)c1
InChIInChI=1S/C14H21NO4/c1-10-4-11(2)6-13(5-10)19-9-12(16)7-15-8-14(17)18-3/h4-6,12,15-16H,7-9H2,1-3H3
InChIKeyDZNWXPIQPMJBTL-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.81
Rot. Bonds7

About methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate

methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate (PubChem CID 60904477) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate
PubChem CID60904477
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate
SMILESCOC(=O)CNCC(O)COc1cc(C)cc(C)c1
InChIInChI=1S/C14H21NO4/c1-10-4-11(2)6-13(5-10)19-9-12(16)7-15-8-14(17)18-3/h4-6,12,15-16H,7-9H2,1-3H3
InChIKeyDZNWXPIQPMJBTL-UHFFFAOYSA-N
XLogP0.81
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909915
methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
CID 60904602
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
1-(3,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633357
1-(3,5-dimethylphenoxy)-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760352
1-(3,5-dimethylphenoxy)-3-(3-fluoropropylamino)propan-2-ol
CID 114266956
1-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylbutan-2-ol
CID 65106826
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
(2S)-1-(tert-butylamino)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 780164
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 44785140
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate?
The IUPAC name of methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate (CID 60904477) is methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate is COC(=O)CNCC(O)COc1cc(C)cc(C)c1.
What is the InChIKey of methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate?
The InChIKey is DZNWXPIQPMJBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-4-11(2)6-13(5-10)19-9-12(16)7-15-8-14(17)18-3/h4-6,12,15-16H,7-9H2,1-3H3.
What are the key properties of methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate?
methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate has a molecular weight of 267.32 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate is sourced from PubChem (CID 60904477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).